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2-(CYCLOHEXYLAMINO)-1-(3-METHOXYPHENYL)-2-OXO-ETHYL-2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
SpectraBase Compound ID 9P4ppDt9K9i
InChI InChI=1S/C28H35BFNO6/c1-27(2)28(3,4)37-29(36-27)19-14-15-22(23(30)17-19)26(33)35-24(18-10-9-13-21(16-18)34-5)25(32)31-20-11-7-6-8-12-20/h9-10,13-17,20,24H,6-8,11-12H2,1-5H3,(H,31,32)
InChIKey CKQXVMDJXNVSTD-UHFFFAOYSA-N
Mol Weight 511.4 g/mol
Molecular Formula C28H35BFNO6
Exact Mass 511.254146 g/mol

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

11B Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IA6OGeOWpK7
Name 2-(CYCLOHEXYLAMINO)-1-(3-METHOXYPHENYL)-2-OXO-ETHYL-2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOATE
Compound Number A12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35BFNO6
InChI InChI=1S/C28H35BFNO6/c1-27(2)28(3,4)37-29(36-27)19-14-15-22(23(30)17-19)26(33)35-24(18-10-9-13-21(16-18)34-5)25(32)31-20-11-7-6-8-12-20/h9-10,13-17,20,24H,6-8,11-12H2,1-5H3,(H,31,32)
InChIKey CKQXVMDJXNVSTD-UHFFFAOYSA-N
Literature Reference Author C.C.CHAI,P.Y.LIU,C.H.LIN,H.C.CHEN,Y.C.WU,F.R.CHANG,P.S.PAN
Literature Reference Citation MOLECULES,18,9488(2013)
Literature Reference DOI 10.3390/molecules18089488
Solvent CDCl3
Source File Reference UWIR9073